AB 17655

CAT: 0013-GTR19231910-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19231910-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

AB 17655

CAS Number

251903-00-1

Purity

>98%

Smiles

O=C1C2C (=CC=CC=2) N/C/1=C1\C2C (=CC=C (F) C=2) NC\1=O

Molecular Formula

C16H9FN2O2

Molecular Weight

280.253267049789

Notes

For research use only.

Chemical Information

5'-Fluoro-[2,3'-biindolinylidene]-2',3-dione

CAS Number	251903-00-1
PubChem CID	403163
IUPAC Name	2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one
Molecular Formula	C16H9FN2O2
Molecular Weight	280.25
XLogP	2.8
Topological Polar Surface Area	65.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	481

SMILES

C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)F)O

InChI

InChI=1S/C16H9FN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,19,21H

InChIKey

FYLWBNLJDXFSNQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 251903-00-1

CID: 403163

Formula: C16H9FN2O2

MW: 280.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.25
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	280.06480570
Monoisotopic Mass	280.06480570
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	481
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes